3-cyclopropyl-1-(5-oxidanylidenehexyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-(5-oxidanylidenehexyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-cyclopropyl-1-(5-oxohexyl)-7-pentyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-(5-oxohexyl)-7-pentylpurine-2,6-dione IUPAC Name: 3-cyclopropyl-1-(5-oxohexyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-cyclopropyl-1-(5-ketohexyl)xanthine Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCCCC(=O)C

Isomeric SMILES

CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCCCC(=O)C

InChI

InChI=1S/C19H28N4O3/c1-3-4-6-11-21-13-20-17-16(21)18(25)22(12-7-5-8-14(2)24)19(26)23(17)15-9-10-15/h13,15H,3-12H2,1-2H3